Title :
Mathematical programming model of bond length and angular resolution for minimum energy carbon nanotubes
Author_Institution :
Dept. of Computational & Appl. Math., Rice Univ., Houston, TX, USA
Abstract :
This paper addresses the problem of determining minimum energy configurations of single-walled carbon nanotubes through the use of a mathematical programming model. The model includes a potential energy function which is minimized subject to constraints on the angular resolution and bond lengths. This approach seems to consistently produce stable configurations
Keywords :
bond lengths; carbon nanotubes; mathematical programming; minimisation; potential energy functions; stability; C; angular resolution; bond length; carbon nanotubes; mathematical programming model; minimum energy carbon nanotubes; minimum energy configurations; potential energy function; single-walled carbon nanotubes; stable configurations; Bonding; Carbon nanotubes; Contracts; Energy resolution; Mathematical model; Mathematical programming; Mathematics; Potential energy; Quantum computing; Quantum mechanics;
Conference_Titel :
Nanotechnology, 2001. IEEE-NANO 2001. Proceedings of the 2001 1st IEEE Conference on
Conference_Location :
Maui, HI
Print_ISBN :
0-7803-7215-8
DOI :
10.1109/NANO.2001.966476
